2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one

C19H12ClFN4O — CID 156896984

IUPAC2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1
InChIInChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24)
InChIKeyDJQITRIVYJKNKX-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.32
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one

2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one (PubChem CID 156896984) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
PubChem CID156896984
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1
InChIInChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24)
InChIKeyDJQITRIVYJKNKX-UHFFFAOYSA-N
XLogP4.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
CID 162498369
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
CID 162498529
3-chloro-4-[(6-chloro-4-oxo-3-phenylquinazolin-2-yl)amino]benzonitrile
CID 162495453
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one (CID 156896984) is 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one is O=c1c2cc(F)ccc2nc(Nc2cncc(Cl)c2)n1-c1ccccc1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?
The InChIKey is DJQITRIVYJKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-12-8-14(11-22-10-12)23-19-24-17-7-6-13(21)9-16(17)18(26)25(19)15-4-2-1-3-5-15/h1-11H,(H,23,24).
What are the key properties of 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one?
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one has a molecular weight of 366.78 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one is sourced from PubChem (CID 156896984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).